Information card for entry 1519495

Structure parameters

• Formula: C13 H19 F6 N2 P
• Calculated formula: C13 H19 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(c2ccccc2[n+](c1)CCCCC)C
• Title of publication: C13H19F6N2P
• Authors of publication: Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 945
• a: 8.6272 ± 0.0002 Å
• b: 16.6121 ± 0.0004 Å
• c: 11.247 ± 0.0003 Å
• α: 90°
• β: 107.452 ± 0.001°
• γ: 90°
• Cell volume: 1537.68 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No